4NR7

Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand

Summary for 4NR7

DescriptorCREB-binding protein, 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, ... (4 entities in total)
Functional Keywordsstructural genomics consortium, sgc, chemical tool, small molecule inhibitor, transcription, transferase
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm Q92793
Total number of polymer chains1
Total molecular weight14918.59
Authors
Primary citation
Filippakopoulos, P.,Picaud, S.,Felletar, I.,Hay, D.,Fedorov, O.,Martin, S.,Krojer, T.,Nowak, R.,von Delft, F.,Brennan, P.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Knapp, S.
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
To be Published,
Experimental method
X-RAY DIFFRACTION (1.2 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.1430001.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload